9,13-dimethoxy-10,10,12,12-tetramethylhenicosane

C27H56O2 — CID 152569510

IUPAC9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
SMILESCCCCCCCCC(OC)C(C)(C)CC(C)(C)C(CCCCCCCC)OC
InChIInChI=1S/C27H56O2/c1-9-11-13-15-17-19-21-24(28-7)26(3,4)23-27(5,6)25(29-8)22-20-18-16-14-12-10-2/h24-25H,9-23H2,1-8H3
InChIKeyYREOAYSGOMPSSL-UHFFFAOYSA-N
MW412.74 g/mol
LogP8.96
Rot. Bonds20

About 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane

9,13-dimethoxy-10,10,12,12-tetramethylhenicosane (PubChem CID 152569510) has the molecular formula C27H56O2 and a molecular weight of 412.74 g/mol. Its IUPAC name is 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane.

Molecular Properties

Compound Name9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
PubChem CID152569510
Molecular FormulaC27H56O2
Molecular Weight412.74 g/mol
Exact Mass412.43
IUPAC Name9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
SMILESCCCCCCCCC(OC)C(C)(C)CC(C)(C)C(CCCCCCCC)OC
InChIInChI=1S/C27H56O2/c1-9-11-13-15-17-19-21-24(28-7)26(3,4)23-27(5,6)25(29-8)22-20-18-16-14-12-10-2/h24-25H,9-23H2,1-8H3
InChIKeyYREOAYSGOMPSSL-UHFFFAOYSA-N
XLogP8.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.74
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-methoxy-2-methylnonadecan-2-yl)silane
CID 173128968
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
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CID 18425047
CID 18425047
3-(2,2-dimethyloctan-3-ylperoxy)-2,2-dimethyloctane
CID 175062921
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
(5S)-5-methoxyundecane
CID 118889956
1,1-dimethoxytetradecane
CID 13265409
3-(2,2-dimethylpropoxy)-2,2-dimethyldecane
CID 141041946
4-(1,1-dimethoxyethyl)dodecan-1-amine;1,1,1,2-tetramethoxydecane
CID 159305061
4-ethenyl-4,5-dimethoxytridecane
CID 158070390
3-decoxy-2,2-dimethyltridecan-1-ol
CID 175424630
(3-ethoxy-2-methylnonan-2-yl)silane
CID 173242483

Frequently Asked Questions

What is the IUPAC name of 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane?
The IUPAC name of 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane (CID 152569510) is 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane.
What is the SMILES notation for 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane?
The canonical SMILES for 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane is CCCCCCCCC(OC)C(C)(C)CC(C)(C)C(CCCCCCCC)OC.
What is the InChIKey of 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane?
The InChIKey is YREOAYSGOMPSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2/c1-9-11-13-15-17-19-21-24(28-7)26(3,4)23-27(5,6)25(29-8)22-20-18-16-14-12-10-2/h24-25H,9-23H2,1-8H3.
What are the key properties of 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane?
9,13-dimethoxy-10,10,12,12-tetramethylhenicosane has a molecular weight of 412.74 g/mol, XLogP of 8.96, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13-dimethoxy-10,10,12,12-tetramethylhenicosane is sourced from PubChem (CID 152569510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).